8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one

C30H18O4 — CID 44553869

IUPAC8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one
SMILESO=C(c1ccccc1)c1oc2ccc3c(-c4ccccc4)cc(=O)oc3c2c1-c1ccccc1
InChIInChI=1S/C30H18O4/c31-25-18-23(19-10-4-1-5-11-19)22-16-17-24-27(29(22)34-25)26(20-12-6-2-7-13-20)30(33-24)28(32)21-14-8-3-9-15-21/h1-18H
InChIKeyGGSAUVIUOBDVTM-UHFFFAOYSA-N
MW442.47 g/mol
LogP7.10
Rot. Bonds4

About 8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one

8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one (PubChem CID 44553869) has the molecular formula C30H18O4 and a molecular weight of 442.47 g/mol. Its IUPAC name is 8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one
PubChem CID44553869
Molecular FormulaC30H18O4
Molecular Weight442.47 g/mol
Exact Mass442.12
IUPAC Name8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one
SMILESO=C(c1ccccc1)c1oc2ccc3c(-c4ccccc4)cc(=O)oc3c2c1-c1ccccc1
InChIInChI=1S/C30H18O4/c31-25-18-23(19-10-4-1-5-11-19)22-16-17-24-27(29(22)34-25)26(20-12-6-2-7-13-20)30(33-24)28(32)21-14-8-3-9-15-21/h1-18H
InChIKeyGGSAUVIUOBDVTM-UHFFFAOYSA-N
XLogP7.10
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
CID 44554561
8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one
CID 44599243
8-[4-(dimethylamino)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008436
3-(8-benzoyl-4-methyl-2-oxofuro[2,3-h]chromen-9-yl)benzonitrile
CID 44599406
3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)benzonitrile
CID 44554728
8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600052
4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one
CID 44600693
8-[3-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44552830
8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008457
8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44555055
8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44555207
8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600205

Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one (CID 44553869) is 8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one is O=C(c1ccccc1)c1oc2ccc3c(-c4ccccc4)cc(=O)oc3c2c1-c1ccccc1.
What is the InChIKey of 8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one?
The InChIKey is GGSAUVIUOBDVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18O4/c31-25-18-23(19-10-4-1-5-11-19)22-16-17-24-27(29(22)34-25)26(20-12-6-2-7-13-20)30(33-24)28(32)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one?
8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one has a molecular weight of 442.47 g/mol, XLogP of 7.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 44553869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).